CID 137944776

2260932-95-2

Structural Information

Molecular Formula
C16H30N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2(CCOCC2)CN
InChI
InChI=1S/C16H30N2O3/c1-15(2,3)21-14(19)18-8-4-13(5-9-18)16(12-17)6-10-20-11-7-16/h13H,4-12,17H2,1-3H3
InChIKey
YNUOCKPFGNAQPD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(aminomethyl)oxan-4-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.22565 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.23293 174.9
[M+Na]+ 321.21487 176.1
[M-H]- 297.21837 178.3
[M+NH4]+ 316.25947 188.4
[M+K]+ 337.18881 176.0
[M+H-H2O]+ 281.22291 167.4
[M+HCOO]- 343.22385 186.3
[M+CH3COO]- 357.23950 202.7
[M+Na-2H]- 319.20032 176.5
[M]+ 298.22510 168.6
[M]- 298.22620 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.